3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C22H28N2O4 — CID 66953041

IUPAC3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCCOCCOc1cc(C(N)=O)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C22H28N2O4/c1-5-27-8-9-28-20-11-15(21(23)26)6-7-17(20)24-14(2)10-16-18(24)12-22(3,4)13-19(16)25/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H2,23,26)
InChIKeyPZVYHLKYXUGLLD-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.46
Rot. Bonds7

About 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 66953041) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID66953041
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCCOCCOc1cc(C(N)=O)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C22H28N2O4/c1-5-27-8-9-28-20-11-15(21(23)26)6-7-17(20)24-14(2)10-16-18(24)12-22(3,4)13-19(16)25/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H2,23,26)
InChIKeyPZVYHLKYXUGLLD-UHFFFAOYSA-N
XLogP3.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 66953041) is 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is CCOCCOc1cc(C(N)=O)ccc1-n1c(C)cc2c1CC(C)(C)CC2=O.
What is the InChIKey of 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is PZVYHLKYXUGLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-27-8-9-28-20-11-15(21(23)26)6-7-17(20)24-14(2)10-16-18(24)12-22(3,4)13-19(16)25/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H2,23,26).
What are the key properties of 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 66953041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).